Basic information
- CAS
70654-90-9- Standard SMILES
CN1C(=O)c2ccc3c4ccc5c(=O)n6c7ccccc7nc6c6ccc(c7ccc(c2c37)C1=O)c4c56- InChIKey
CHAPEJMGBAWRFE-UHFFFAOYSA-N- Molecular formula
- C31H15N3O3
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.11134135
Names & identifiers
- Preferred name
- 2-Methylbenzimidazo[2,1-a]isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8(2H)-trione
- IUPAC
- 7-methyl-7,18,25-triazanonacyclo[14.13.2.22,5.03,12.04,9.013,30.017,25.019,24.027,31]tritriaconta-1(29),2(33),3(12),4(9),5(32),10,13(30),14,16(31),17,19,21,23,27-tetradecaene-6,8,26-trione
Names & synonyms
70654-90-9NSC334712CHEMBL137528SCHEMBL10024354DTXSID90318747NSC-3347122-Methylbenzimidazo[2,1-a]isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8(2H)-trione2-Methyl[1,3]benzimidazo[2,1-a]isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8(2H)-trione
Database identifiers
- CAS
70654-90-9- PubChem CID
- 333496
- DTXSID
DTXSID90318747- ChEMBL
CHEMBL137528- Nikkaji
- J1.519.582G
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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